Nanostructures have a crucial impact on bubble nucleation. In this paper, different nano-grooved surfaces are constructed using complex trigonometric functions, and the nucleation process of liquid argon on the surfaces is investigated using molecular dynamics simulations. The nanostructures affect the bubble nucleation location, and the results show that the bubble nucleation always occurs in the groove region during the boiling process. In contrast, the bubbles on the flat surface appear randomly. In addition, bubble growth is also affected by the nanostructure. Increasing nanostructure size can reduce the bubble nucleation time and enhance the bubble growth rate. The nanostructure increases the solid-liquid interface area, which enhances the heat transfer between solid and liquid. Finally, the reasons for bubble nucleation on different nanostructured surfaces are analyzed. The heat transfer between solid and liquid is the leading factor for bubble nucleation when the difference in liquid atoms’ potential energy is slight. As the nanostructure size increases, the substrate attracts more argon atoms to form a non-evaporating liquid layer, improving heat transfer and promoting bubble nucleation.